SCHEMBL7674840

SCHEMBL7674840

CN1c2cc(Br)ccc2-n2cc(Cc3cccnc3)c(=O)c3cc(OCCCO)cc1c32

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.39
KCNJ5 P48544 13/20 0.39
KCNJ3 P48549 13/20 0.39
RIPK1 Q13546 1/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7668727 0.97 KCNA5 (0.39) KCNA5KCNJ5KCNJ3RIPK1FPR1
SCHEMBL7668793 0.90 HIF1A (0.39) KCNA5KCNJ5KCNJ3RIPK1FPR1
SCHEMBL7673892 0.90 FPR1 (0.34) KCNA5KCNJ5KCNJ3RIPK1FPR1
SCHEMBL7674363 0.88 FPR1 (0.34) KCNA5KCNJ5KCNJ3RIPK1FPR1
SCHEMBL7669084 0.88 LTA4H (0.46) KCNA5KCNJ5KCNJ3RIPK1ALDH1A1
SCHEMBL7667021 0.87 ALDH1A1 (0.39) KCNA5KCNJ5KCNJ3RIPK1FPR1
SCHEMBL7668613 0.85 LTA4H (0.46) KCNA5KCNJ5KCNJ3RIPK1ALDH1A1
SCHEMBL7668596 0.84 RIPK1 (0.35) RIPK1FPR1FPR2CYP1A2CYP3A4
SCHEMBL7672522 0.84 RIPK1 (0.33) RIPK1FPR1FPR2CYP1A2CYP3A4
SCHEMBL7669113 0.84 RIPK1 (0.33) KCNA5KCNJ5KCNJ3RIPK1FPR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed